SCHEMBL13956

SCHEMBL13956

NCCCN(CCc1ccncc1)Cc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
GPR142 Q7Z601 1/20 0.31
KCNA5 P22460 1/20 0.31
GRM2 Q14416 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
LYN P07948 1/20 0.31
IGF1R P08069 1/20 0.31
SYK P43405 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13705 0.95 GPR142 (0.33) HDAC1GPR142IKBKBCHUKLYN
SCHEMBL17354217 0.94 HDAC1 (0.32) HDAC1GPR142
SCHEMBL13751 0.93 LYN (0.34) HDAC1IKBKBCHUKLYNIGF1R
SCHEMBL13780 0.90 LYN (0.33) HDAC1IKBKBCHUKLYNIGF1R
SCHEMBL17354189 0.89 ROCK2 (0.32) GPR142IKBKBCHUKLYNIGF1R
SCHEMBL14124 0.89 HPSE (0.34) HDAC1IKBKBCHUKLYNIGF1R
SCHEMBL14850202 0.89 HPSE (0.34) HDAC1IKBKBCHUKLYNIGF1R
SCHEMBL14850222 0.88 HDAC1 (0.36) HDAC1KCNA5GRM2IKBKBCHUK
SCHEMBL14850221 0.88 IKBKB (0.32) IKBKBCHUKLYNIGF1RSYK
SCHEMBL17354322 0.87 KDR (0.36) HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT HDAC1 2713/4885GPR142 4812/4885KCNA5 3912/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HDAC1 2713/4885GPR142 4812/4885KCNA5 3912/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.